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Calcium in PDB 2wyn: Structure of Family 37 Trehalase From Escherichia Coli in Complex with A Casuarine-6-O-A-D-Glucoside Analogue

Enzymatic activity of Structure of Family 37 Trehalase From Escherichia Coli in Complex with A Casuarine-6-O-A-D-Glucoside Analogue

All present enzymatic activity of Structure of Family 37 Trehalase From Escherichia Coli in Complex with A Casuarine-6-O-A-D-Glucoside Analogue:
3.2.1.28;

Protein crystallography data

The structure of Structure of Family 37 Trehalase From Escherichia Coli in Complex with A Casuarine-6-O-A-D-Glucoside Analogue, PDB code: 2wyn was solved by T.M.Gloster, S.M.Roberts, G.J.Davies, F.Cardona, A.Goti, C.Parmeggiani, P.Parenti, P.Fusi, M.Forcella, L.Cipolla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 101.53 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.349, 117.017, 203.565, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 20.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Family 37 Trehalase From Escherichia Coli in Complex with A Casuarine-6-O-A-D-Glucoside Analogue (pdb code 2wyn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of Family 37 Trehalase From Escherichia Coli in Complex with A Casuarine-6-O-A-D-Glucoside Analogue, PDB code: 2wyn:

Calcium binding site 1 out of 1 in 2wyn

Go back to Calcium Binding Sites List in 2wyn
Calcium binding site 1 out of 1 in the Structure of Family 37 Trehalase From Escherichia Coli in Complex with A Casuarine-6-O-A-D-Glucoside Analogue


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Family 37 Trehalase From Escherichia Coli in Complex with A Casuarine-6-O-A-D-Glucoside Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1558

b:48.2
occ:1.00
 OD2 A:ASP175 1.9 18.6 0.5
OD1 A:ASP175 2.6 22.5 0.5
CG A:ASP175 2.6 19.8 0.5
ND1 A:HIS173 3.3 24.2 1.0
CB A:HIS173 3.6 20.4 1.0
CA A:HIS173 3.8 20.7 1.0
CG A:HIS173 3.9 22.7 1.0
O A:HOH2125 4.0 28.1 1.0
CB A:ASP175 4.1 18.2 0.5
CB A:ASP175 4.1 18.0 0.5
C A:HIS173 4.3 20.1 1.0
N A:LYS176 4.4 17.8 1.0
CE1 A:HIS173 4.4 23.1 1.0
CB A:LYS176 4.5 17.5 1.0
N A:ASP175 4.6 18.2 1.0
O A:HIS173 4.7 18.9 1.0
CA A:ASP175 4.8 18.5 0.5
CA A:ASP175 4.8 18.4 0.5
CG A:ASP175 4.8 19.2 0.5
CE A:LYS176 4.8 30.5 1.0
N A:TRP174 4.9 19.1 1.0

Reference:

F.Cardona, A.Goti, C.Parmeggiani, P.Parenti, M.Forcella, P.Fusi, L.Cipolla, S.M.Roberts, G.J.Davies, T.M.Gloster. Casuarine-6-O-Alpha-D-Glucoside and Its Analogues Are Tight Binding Inhibitors of Insect and Bacterial Trehalases. Chem.Commun.(Camb.) V. 46 2629 2010.
ISSN: ESSN 1364-548X
PubMed: 20461849
DOI: 10.1039/B926600C
Page generated: Fri Jul 12 18:55:29 2024

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